ChemSpider 2D Image | (1'R,2R,4'S,5S,6R,8'R,13'R,20'R,21'R,24'S)-24'-Hydroxy-6-isopropyl-21'-methoxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentaco sa[10,14,16,22]tetraen]-2'-one | C34H50O7

(1'R,2R,4'S,5S,6R,8'R,13'R,20'R,21'R,24'S)-24'-Hydroxy-6-isopropyl-21'-methoxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentaco sa[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID4944989

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1'R,2R,4'S,5S,6R,8'R,13'R,20'R,21'R,24'S)-24'-Hydroxy-6-isopropyl-21'-methoxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentaco sa[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]
83471-31-2 [RN]
Milbemycin B, 28-deoxy-6,28-epoxy-25-(1-methylethyl)-, (6R,25R)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.6±6.0 kJ/mol
Flash Point: 222.3±26.4 °C
Index of Refraction: 1.556
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 66812.05
ACD/KOC (pH 5.5): 98903.59
ACD/LogD (pH 7.4): 6.65
ACD/BCF (pH 7.4): 66811.33
ACD/KOC (pH 7.4): 98902.51
Polar Surface Area: 83 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 492.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement